2,2′-Pyridil - ≥97% , CAS No.492-73-9

CAS: 492-73-9 Cat. No.: P189146 Summenformel: C₁₂H₈N₂O₂ Molekulargewicht: 212.2 EG-Nummer: 207-759-9 PubChem CID: 68115

GRADE & PURITY ≥97%

Synonyms

FT-0632223 | .alpha.-Pyridil | MFCD00006301 | Glyoxal, di-2-pyridyl- | Bis(2-pyridyl)ethanedione | FG-0437 | A827691 | NSC 16545 | AI3-52658 | EN300-17335 | 10.14272/PIINXYKJQGMIOZ-UHFFFAOYSA-N.1 | bis(pyridin-2-yl)ethane-1,2-dione | 1,2-di(pyridin-2-yl)e

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0632223 | .alpha.-Pyridil | MFCD00006301 | Glyoxal, di-2-pyridyl- | Bis(2-pyridyl)ethanedione | FG-0437 | A827691 | NSC 16545 | AI3-52658 | EN300-17335 | 10.14272/PIINXYKJQGMIOZ-UHFFFAOYSA-N.1 | bis(pyridin-2-yl)ethane-1,2-dione | 1,2-di(pyridin-2-yl)e

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488184086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184086
• Kanonisches Lächeln: C1=CC=NC(=C1)C(=O)C(=O)C2=CC=CC=N2
• IUPAC Name: 1,2-dipyridin-2-ylethane-1,2-dione
• InChIKey: PIINXYKJQGMIOZ-UHFFFAOYSA-N
• INCHI: 1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H
• Isomere SMILES: C1=CC=NC(=C1)C(=O)C(=O)C2=CC=CC=N2
• WGK Deutschland: 3
• PubChem CID: 68115
• Molekulargewicht: 212.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Aryl ketones
• Alternative Parents: Pyridines and derivatives Alpha-diketones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl ketone - Pyridine - Alpha-diketone - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 154-156℃
• Molekulargewicht: 212.200 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 212.059 Da
• Monoisotopic Mass: 212.059 Da
• Topological Polar Surface Area: 59.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 250.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1